2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole

C18H20FN3O2 — CID 56754344

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c(F)c1
InChIInChI=1S/C18H20FN3O2/c1-11(2)17-20-7-8-22(17)10-16-12(3)24-18(21-16)14-6-5-13(23-4)9-15(14)19/h5-9,11H,10H2,1-4H3
InChIKeyPKQVTVJZAVBHNF-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole

2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56754344) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56754344
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c(F)c1
InChIInChI=1S/C18H20FN3O2/c1-11(2)17-20-7-8-22(17)10-16-12(3)24-18(21-16)14-6-5-13(23-4)9-15(14)19/h5-9,11H,10H2,1-4H3
InChIKeyPKQVTVJZAVBHNF-UHFFFAOYSA-N
XLogP4.17
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738740
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56756467
4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56870077
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42358517
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
(3S,4S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 56869789
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 56754344) is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is PKQVTVJZAVBHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11(2)17-20-7-8-22(17)10-16-12(3)24-18(21-16)14-6-5-13(23-4)9-15(14)19/h5-9,11H,10H2,1-4H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 329.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).